2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol

C19H19F2N3O4S — CID 163234192

IUPAC2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O4S/c1-29(26,27)23-6-4-14(5-7-23)28-15-2-3-17-12(8-15)11-22-24(17)13-9-16(20)19(21)18(25)10-13/h2-3,8-11,14,25H,4-7H2,1H3
InChIKeyYORNLFTWMCLVHR-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.81
Rot. Bonds4

About 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol

2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol (PubChem CID 163234192) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol
PubChem CID163234192
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O4S/c1-29(26,27)23-6-4-14(5-7-23)28-15-2-3-17-12(8-15)11-22-24(17)13-9-16(20)19(21)18(25)10-13/h2-3,8-11,14,25H,4-7H2,1H3
InChIKeyYORNLFTWMCLVHR-UHFFFAOYSA-N
XLogP2.81
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol (CID 163234192) is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol is CS(=O)(=O)N1CCC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol?
The InChIKey is YORNLFTWMCLVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-29(26,27)23-6-4-14(5-7-23)28-15-2-3-17-12(8-15)11-22-24(17)13-9-16(20)19(21)18(25)10-13/h2-3,8-11,14,25H,4-7H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol?
2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol has a molecular weight of 423.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]phenol is sourced from PubChem (CID 163234192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).